SCHEMBL12053247

SCHEMBL12053247

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(N)nc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PRMT1 Q99873 1/20 0.37
▸ ENPP1 P22413 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ P2RX5 Q93086 2/20 0.33
▸ P2RX4 Q99571 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ CASP7 P55210 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12053241 0.92 ENPP1 (0.35) MAPTKDM4ETDP1RAB9AENPP1
SCHEMBL12053140 0.91 KDM4E (0.36) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL12053223 0.89 KDM4E (0.41) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL12053197 0.88 KDM4E (0.38) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL12053254 0.88 ENPP1 (0.33) MAPTKDM4ETDP1RAB9AENPP1
SCHEMBL12053245 0.88 THRB (0.38) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL12052948 0.87 PRMT1 (0.37) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL14547008 0.87 MAPT (0.43) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL12053251 0.85 ENPP2 (0.34) MAPTKDM4ETDP1RAB9AENPP1
SCHEMBL12052871 0.85 THRB (0.38) MAPTKDM4ETDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
Send feedback